2-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetic acid

C13H16ClNO3 — CID 112515035

IUPAC2-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetic acid
SMILESCOc1ccc(Cl)cc1C(NCC1CC1)C(=O)O
InChIInChI=1S/C13H16ClNO3/c1-18-11-5-4-9(14)6-10(11)12(13(16)17)15-7-8-2-3-8/h4-6,8,12,15H,2-3,7H2,1H3,(H,16,17)
InChIKeyCJAZRXPDLKQRAO-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.47
Rot. Bonds6

About 2-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetic acid

2-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetic acid (PubChem CID 112515035) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetic acid.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetic acid
PubChem CID112515035
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name2-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetic acid
SMILESCOc1ccc(Cl)cc1C(NCC1CC1)C(=O)O
InChIInChI=1S/C13H16ClNO3/c1-18-11-5-4-9(14)6-10(11)12(13(16)17)15-7-8-2-3-8/h4-6,8,12,15H,2-3,7H2,1H3,(H,16,17)
InChIKeyCJAZRXPDLKQRAO-UHFFFAOYSA-N
XLogP2.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-2-(2,4,5-trimethoxyphenyl)acetic acid
CID 61002329
2-(cyclopropylmethylamino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid
CID 54894829
(1S)-1-(5-chloro-2-methoxyphenyl)-2-cyclopropylethanamine;hydrochloride
CID 171234667
4-amino-3-(5-chloro-2-methoxyphenyl)-1-cyclopropylbutan-2-ol
CID 65189958
2-(cyclopropylmethylamino)-2-(2,4-dichlorophenyl)acetamide
CID 60995676
2-(5-chloro-2-methoxyphenyl)-4-methylpentanoic acid
CID 82089067
1-(5-chloro-2-methoxyphenyl)-3-cyclopropyl-N-propylpropan-1-amine
CID 104995108
2-(5-bromo-2-methoxyphenyl)-2-(ethylamino)acetic acid
CID 43753884
N-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 60842124
2-(cyclopropylmethylamino)-2-(6-methoxynaphthalen-2-yl)acetic acid
CID 61001340
methyl (2S)-2-amino-2-(5-chloro-2-methoxyphenyl)acetate
CID 171215055
1-(5-chloro-2-methoxyphenyl)-N'-cyclopropylethane-1,2-diamine
CID 116935148

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetic acid?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetic acid (CID 112515035) is 2-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetic acid.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetic acid?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetic acid is COc1ccc(Cl)cc1C(NCC1CC1)C(=O)O.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetic acid?
The InChIKey is CJAZRXPDLKQRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-18-11-5-4-9(14)6-10(11)12(13(16)17)15-7-8-2-3-8/h4-6,8,12,15H,2-3,7H2,1H3,(H,16,17).
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetic acid?
2-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetic acid has a molecular weight of 269.73 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetic acid is sourced from PubChem (CID 112515035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).